1-(2-but-3-ynoxyphenyl)-N-ethylethanamine

C14H19NO — CID 60882512

IUPAC1-(2-but-3-ynoxyphenyl)-N-ethylethanamine
SMILESC#CCCOc1ccccc1C(C)NCC
InChIInChI=1S/C14H19NO/c1-4-6-11-16-14-10-8-7-9-13(14)12(3)15-5-2/h1,7-10,12,15H,5-6,11H2,2-3H3
InChIKeyNXIFAZHXJIIMEI-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.76
Rot. Bonds6

About 1-(2-but-3-ynoxyphenyl)-N-ethylethanamine

1-(2-but-3-ynoxyphenyl)-N-ethylethanamine (PubChem CID 60882512) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(2-but-3-ynoxyphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-but-3-ynoxyphenyl)-N-ethylethanamine
PubChem CID60882512
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(2-but-3-ynoxyphenyl)-N-ethylethanamine
SMILESC#CCCOc1ccccc1C(C)NCC
InChIInChI=1S/C14H19NO/c1-4-6-11-16-14-10-8-7-9-13(14)12(3)15-5-2/h1,7-10,12,15H,5-6,11H2,2-3H3
InChIKeyNXIFAZHXJIIMEI-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-(2-but-3-ynoxyphenyl)-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine
CID 43279591
N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine
CID 106447883
1-[2-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
CID 60882508
(1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007357
1-(4-but-3-ynoxyphenyl)-N-ethylethanamine
CID 60880991
N-ethyl-1-[2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 43279645
N-ethyl-1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 60882874
N-[(2-but-3-ynoxyphenyl)methyl]ethanamine
CID 60881032
N-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 43279629
N-[1-(2-hexoxyphenyl)ethyl]octan-1-amine
CID 54807415
N-methyl-1-(2-pent-3-ynoxyphenyl)ethanamine
CID 104804559
N-ethyl-1-(2-pent-3-ynoxyphenyl)propan-1-amine
CID 104804539

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-ynoxyphenyl)-N-ethylethanamine?
The IUPAC name of 1-(2-but-3-ynoxyphenyl)-N-ethylethanamine (CID 60882512) is 1-(2-but-3-ynoxyphenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(2-but-3-ynoxyphenyl)-N-ethylethanamine?
The canonical SMILES for 1-(2-but-3-ynoxyphenyl)-N-ethylethanamine is C#CCCOc1ccccc1C(C)NCC.
What is the InChIKey of 1-(2-but-3-ynoxyphenyl)-N-ethylethanamine?
The InChIKey is NXIFAZHXJIIMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-6-11-16-14-10-8-7-9-13(14)12(3)15-5-2/h1,7-10,12,15H,5-6,11H2,2-3H3.
What are the key properties of 1-(2-but-3-ynoxyphenyl)-N-ethylethanamine?
1-(2-but-3-ynoxyphenyl)-N-ethylethanamine has a molecular weight of 217.31 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-ynoxyphenyl)-N-ethylethanamine is sourced from PubChem (CID 60882512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).